N'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine

C10H14Br2N2O — CID 103411364

IUPACN'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine
SMILESCOc1cc(NCCCN)c(Br)cc1Br
InChIInChI=1S/C10H14Br2N2O/c1-15-10-6-9(14-4-2-3-13)7(11)5-8(10)12/h5-6,14H,2-4,13H2,1H3
InChIKeyDDKZQILUPVHYNC-UHFFFAOYSA-N
MW338.04 g/mol
LogP2.98
Rot. Bonds5

About N'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine

N'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine (PubChem CID 103411364) has the molecular formula C10H14Br2N2O and a molecular weight of 338.04 g/mol. Its IUPAC name is N'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine
PubChem CID103411364
Molecular FormulaC10H14Br2N2O
Molecular Weight338.04 g/mol
Exact Mass335.95
IUPAC NameN'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine
SMILESCOc1cc(NCCCN)c(Br)cc1Br
InChIInChI=1S/C10H14Br2N2O/c1-15-10-6-9(14-4-2-3-13)7(11)5-8(10)12/h5-6,14H,2-4,13H2,1H3
InChIKeyDDKZQILUPVHYNC-UHFFFAOYSA-N
XLogP2.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.04
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-N-hexyl-5-methoxyaniline
CID 103411588
3-(2,4-dibromo-5-methoxyanilino)propanenitrile
CID 103412664
N'-(4-chloro-2,5-dimethoxyphenyl)butane-1,4-diamine
CID 82121102
N'-(3-bromo-2,4-dimethoxyphenyl)propane-1,3-diamine
CID 103523756
2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline
CID 103413053
N'-(2,4-dimethoxyphenyl)butane-1,4-diamine
CID 82114957
3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide
CID 103412756
3-(2,4-dibromo-5-methoxyanilino)-2-methylpropanoic acid
CID 103412855
N'-(2-methoxyphenyl)butane-1,4-diamine
CID 94254161
2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline
CID 103412830
2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline
CID 103412121
2-amino-N-(2,4-dibromo-5-methoxyphenyl)acetamide
CID 103413499

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of N'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine (CID 103411364) is N'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine is COc1cc(NCCCN)c(Br)cc1Br.
What is the InChIKey of N'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine?
The InChIKey is DDKZQILUPVHYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O/c1-15-10-6-9(14-4-2-3-13)7(11)5-8(10)12/h5-6,14H,2-4,13H2,1H3.
What are the key properties of N'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine?
N'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine has a molecular weight of 338.04 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 103411364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).